smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1 ZINC000005781444 170140104 /nfs/dbraw/zinc/14/01/04/170140104.db2.gz CJJMEOOXAVSNFL-UHFFFAOYSA-N 1 3 253.737 1.791 1 30 CDEFHO CCCCCC[C@@H]([NH3+])C(=O)N([O-])CCC[N+](C)(C)C ZINC000064560764 717132660 /nfs/dbraw/zinc/13/26/60/717132660.db2.gz WAXOWLUSUKWEMC-CYBMUJFWSA-N 1 3 274.429 1.598 1 30 CDEFHO CCCCCC[C@H]([NH3+])C(=O)N([O-])CCC[N+](C)(C)C ZINC000064560762 717132422 /nfs/dbraw/zinc/13/24/22/717132422.db2.gz WAXOWLUSUKWEMC-ZDUSSCGKSA-N 1 3 274.429 1.598 1 30 CDEFHO